Collision Integrals and High Temperature Transport Properties for N-N, O-O, and N-O

被引:96
作者
Levin, E. [1 ]
Partridge, H. [2 ]
Stallcop, J. R. [2 ]
机构
[1] NASA, Ames Res Ctr, Res Inst Adv Comp Sci, Moffett Field, CA 94035 USA
[2] NASA, Ames Res Ctr, Computat Chem Branch, Thermosci Div, Moffett Field, CA 94035 USA
关键词
D O I
10.2514/3.210
中图分类号
O414.1 [热力学];
学科分类号
摘要
Accurate collision integrals for the interactions of N(S-4(O)) + N(S-4(O)), O(P-3) + O(P-3), and N(S-4(O)) + O(P-3) are reported in this paper. These are computed from a semiclassical formulation of the scattering using the best available representations of all of the potential energy curves needed to describe the collisions. Spectroscopic curves and other accurate measured data are used where available; the results of accurate ab initio electronic structure calculations are used to determine the remaining potential curves. The high-lying states are found to give the largest contributions to the collision cross sections. The nine collision integrals needed to determine transport properties to second order are tabulated for translational temperatures in the range 250-100,000 K. These results are intended to reduce the uncertainty in future predictions of the transport properties of nonequilibrium air, particularly at high temperatures. The viscosity, thermal conductivity, diffusion coefficient, and thermal diffusion factor for a gas composed of nitrogen and oxygen atoms in thermal equilibrium have been calculated. We find that the second-order contribution to the transport properties is small. Graphs of these transport properties for various mixture ratios are presented for temperatures in the range 5000-15,000 K.
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页码:469 / 477
页数:9
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